SCHEMBL5451341

SCHEMBL5451341

C[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.55
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
PDE2A O00408 4/20 0.50
ACP3 P15309 1/20 0.44
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
KIF11 P52732 1/20 0.43
MGLL Q99685 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HSD11B1 P28845 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
GSK3B P49841 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL991083 1.00 PTPN5 (0.55) PTPN5CES2CES1PDE2AACP3
SCHEMBL342466 1.00 PTPN5 (0.55) PTPN5CES2CES1PDE2AACP3
SCHEMBL2276065 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL2276063 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL2276059 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL11125737 0.88 PTPN5 (0.46) PTPN5CES2CES1PDE2AAKR1C3
SCHEMBL28611305 0.85 TRPV1 (0.49) PTPN5CES2CES1PDE2A
SCHEMBL30521586 0.84 PTPN5 (0.53) PTPN5CES2CES1PDE2AHSD11B1
SCHEMBL18290606 0.84 PTPN5 (0.53) PTPN5CES2CES1PDE2ANOS3
SCHEMBL9668161 0.82 PDE2A (0.56) PTPN5CES2CES1PDE2AACP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962602-B1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2025-06-25 EP disclosed
US-20240360067-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2024-10-31 US disclosed
US-20240335451-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2024-10-10 US disclosed
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 CN disclosed
EP-4384271-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-06-19 EP disclosed
EP-4359390-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-05-01 EP disclosed
US-20240010606-A1 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2024-01-11 US disclosed
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
CN-116970580-A Short-chain dehydrogenase mutant derived from Raffina and application of short-chain dehydrogenase mutant in catalyzing aryl ketone to prepare chiral alcohol 浙江工业大学 2023-10-31 CN disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 US disclosed
US-20180305362-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-25 US disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 EP disclosed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 WO disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 WO disclosed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO disclosed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US disclosed
US-20070244319-A1 Metallocenyl P-N ligands, preparation thereof, and use for asymmetric catalysis JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PTPN5 4154/4885CES2 2580/4885CES1 619/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PTPN5 4154/4885CES2 2580/4885CES1 619/4885
US-20240360067-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS NFKBIA, NFATC1, RORC PTPN5 1940/4885CES2 4735/4885CES1 1665/4885
US-20240335451-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS TNF, HLA-DRB1, GSTK1 PTPN5 525/4885CES2 2097/4885CES1 1140/4885
US-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 PTPN5 2124/4885CES2 3187/4885CES1 570/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 PTPN5 894/4885CES2 1484/4885CES1 1354/4885
US-20240010606-A1 FUMARATE DERIVATIVES AND THEIR MEDICAL USE FH, SUCNR1, ARG2 PTPN5 3653/4885CES2 4024/4885CES1 877/4885
US-20070244319-A1 Metallocenyl P-N ligands, preparation thereof, and use for asymmetric catalysis PNN, PNMT, CPNE4 PTPN5 3069/4885CES2 3531/4885CES1 4174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.